5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine

C20H23N7O — CID 138536209

IUPAC5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2cnn(C)c2)c2c(cnn2CC)n1
InChIInChI=1S/C20H23N7O/c1-4-27-19-17(22-10-14-11-23-26(3)13-14)9-16(25-18(19)12-24-27)15-7-6-8-21-20(15)28-5-2/h6-9,11-13H,4-5,10H2,1-3H3,(H,22,25)
InChIKeyGDQVLYVPAWKIKI-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.26
Rot. Bonds7

About 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine

5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138536209) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine
PubChem CID138536209
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2cnn(C)c2)c2c(cnn2CC)n1
InChIInChI=1S/C20H23N7O/c1-4-27-19-17(22-10-14-11-23-26(3)13-14)9-16(25-18(19)12-24-27)15-7-6-8-21-20(15)28-5-2/h6-9,11-13H,4-5,10H2,1-3H3,(H,22,25)
InChIKeyGDQVLYVPAWKIKI-UHFFFAOYSA-N
XLogP3.26
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine (CID 138536209) is 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(NCc2cnn(C)c2)c2c(cnn2CC)n1.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is GDQVLYVPAWKIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-4-27-19-17(22-10-14-11-23-26(3)13-14)9-16(25-18(19)12-24-27)15-7-6-8-21-20(15)28-5-2/h6-9,11-13H,4-5,10H2,1-3H3,(H,22,25).
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine?
5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 377.45 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-3-pyridinyl)-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138536209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).